Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : GIN

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 53


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C12 C C12 N N N 0 4.758 -4.092 -3.972
2 C16 C C16 N Y N 0 4.716 -3.677 -1.469
3 C19 C C19 N Y N 0 5.662 -3.939 1.118
4 C20 C C20 N Y N 0 6.327 -4.567 0.066
5 C21 C C21 N Y N 0 5.851 -4.435 -1.239
6 C24 C C24 N N N 0 6.191 -4.096 2.506
7 C30 C C30 N N N 0 7.205 -2.999 2.862
8 C31 C C31 N N N 0 7.718 -3.14 4.287
9 C32 C C32 N N N 0 5.876 -0.584 -6.217
10 C33 C C33 N Y N 0 7.039 -0.005 -5.477
11 C34 C C34 N Y N 0 6.764 0.964 -4.435
12 C35 C C35 N Y N 0 7.75 1.53 -3.727
13 C01 C C01 N Y N 0 4.047 -3.73 -5.192
14 C02 C C02 N Y N 0 2.996 -4.541 -5.619
15 C03 C C03 N Y N 0 2.295 -4.221 -6.782
16 C04 C C04 N Y N 0 2.646 -3.089 -7.518
17 C05 C C05 N Y N 0 3.697 -2.278 -7.091
18 C06 C C06 N Y N 0 4.414 -2.585 -5.921
19 N11 N N11 N N N 0 5.459 -1.763 -5.513
20 N13 N N13 N N N 0 4.232 -3.542 -2.795
21 O14 O O14 N N N 0 5.77 -4.804 -3.999
22 C17 C C17 N Y N 0 4.043 -3.047 -0.437
23 C18 C C18 N Y N 0 4.52 -3.179 0.867
24 C23 C C23 N N N 0 3.791 -2.498 1.979
25 F27 F F27 N N N 0 2.696 -1.796 1.563
26 F28 F F28 N N N 0 3.325 -3.357 2.932
27 F29 F F29 N N N 0 4.573 -1.599 2.644
28 C36 C C36 N Y N 0 9.167 1.159 -4.01
29 C38 C C38 N Y N 0 8.315 -0.335 -5.728
30 N37 N N37 N Y N 0 9.347 0.227 -5.019
31 O41 O O41 N N N 0 10.082 1.669 -3.369
32 H20 H H20 N N N 0 7.218 -5.162 0.251
33 H21 H H21 N N N 0 6.377 -4.929 -2.051
34 H241 H 1H24 N N N 0 5.366 -4.077 3.237
35 H242 H 2H24 N N N 0 6.669 -5.082 2.628
36 H301 H 1H30 N N N 0 8.055 -3.037 2.17
37 H302 H 2H30 N N N 0 6.744 -2.011 2.743
38 H311 H 1H31 N N N 0 6.897 -3.07 5.008
39 H312 H 2H31 N N N 0 8.221 -4.101 4.43
40 H313 H 3H31 N N N 0 8.435 -2.344 4.512
41 H321 H 1H32 N N N 0 6.192 -0.832 -7.231
42 H322 H 2H32 N N N 0 5.074 0.153 -6.245
43 H34 H H34 N N N 0 5.731 1.229 -4.234
44 H35 H H35 N N N 0 7.554 2.255 -2.947
45 H02 H H02 N N N 0 2.713 -5.426 -5.054
46 H03 H H03 N N N 0 1.477 -4.852 -7.114
47 H04 H H04 N N N 0 2.101 -2.84 -8.423
48 H05 H H05 N N N 0 3.962 -1.398 -7.672
49 HN11 H HN11 N N N 0 5.954 -2.021 -4.661
50 HN13 H HN13 N N N 0 3.396 -2.974 -2.906
51 H17 H H17 N N N 0 3.152 -2.453 -0.632
52 HN37 H HN37 N N N 0 10.292 -0.063 -5.255
53 H38 H H38 N N N 0 8.604 -1.05 -6.489